2-Propynal
- Formula: C3H2O
- Molecular weight: 54.0474
- IUPAC Standard InChI: InChI=1S/C3H2O/c1-2-3-4/h1,3H
- IUPAC Standard InChIKey: IJNJLGFTSIAHEA-UHFFFAOYSA-N
- CAS Registry Number: 624-67-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Propyn-3-al; Propiolaldehye; Propargylaldehyde; Propioaldehyde; Propynal; Propiolaldehyde; 2-Propyn-1-one; Formylacetylene; Acetylenecarboxaldehyde
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.62 ± 0.15 | EI | Opitz, 1991 | LL |
| 10.8 | PE | Von Niessen, Bieri, et al., 1980 | LLK |
| 10.70 | PE | Carlier and Mouvier, 1979 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CO+ | 12.6 ± 0.2 | C2H | EI | Opitz, 1991 | LL |
| C2+ | 19.7 ± 0.2 | ? | EI | Opitz, 1991 | LL |
| C2H2+ | 11.49 ± 0.15 | ? | EI | Opitz, 1991 | LL |
| C3HO+ | 11.38 ± 0.15 | H | EI | Opitz, 1991 | LL |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | A.Pleshkova, Nesmeyanov Inst.Org.Elem.Cpds, Moscow |
| NIST MS number | 283672 |
References
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Opitz, 1991
Opitz, J.,
Photoionization of propynal in the gas phase,
Int. J. Mass Spectrom. Ion Processes, 1991, 107, 503. [all data]
Von Niessen, Bieri, et al., 1980
Von Niessen, W.; Bieri, G.; Asbrink, L.,
30.4 nm He(II) photoelectron spectra of organic molecules. Part III. Oxo-compounds (C,H,O),
J. Electron Spectrosc. Relat. Phenom., 1980, 21, 175. [all data]
Carlier and Mouvier, 1979
Carlier, P.; Mouvier, G.,
Etude par spectrometrie de photoelectrons de la structure electronique des ynals et des ynones conjugues,
J. Electron Spectrosc. Relat. Phenom., 1979, 17, 169. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.